6-butylsulfanyl-2-(3-morpholin-4-ylpropyl)-5-nitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 6-butylsulfanyl-2-(3-morpholin-4-ylpropyl)-5-nitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 6-butylsulfanyl-2-(3-morpholinopropyl)-5-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 6-(butylthio)-2-[3-(4-morpholinyl)propyl]-5-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 6-butylsulfanyl-2-(3-morpholin-4-ylpropyl)-5-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 6-(butylthio)-2-(3-morpholinopropyl)-5-nitro-benzo[de]isoquinoline-1,3-quinone Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C=C2C3=C1C=CC=C3C(=O)N(C2=O)CCCN4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CCCCSC1=C(C=C2C3=C1C=CC=C3C(=O)N(C2=O)CCCN4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O5S/c1-2-3-14-32-21-16-6-4-7-17-20(16)18(15-19(21)26(29)30)23(28)25(22(17)27)9-5-8-24-10-12-31-13-11-24/h4,6-7,15H,2-3,5,8-14H2,1H3